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	hartrees
Energy at 0K
Energy at 298.15K	-0.149889
HF Energy	-0.149889
Nuclear repulsion energy	146.532390

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.822
Br2	0.000	1.413	-0.484
Br3	0.000	-1.413	-0.484
F4	-1.069	0.000	1.609
F5	1.069	0.000	1.609

	C1	Br2	Br3	F4	F5
C1		1.9246	1.9246	1.3273	1.3273
Br2	1.9246		2.8269	2.7425	2.7425
Br3	1.9246	2.8269		2.7425	2.7425
F4	1.3273	2.7425	2.7425		2.1376
F5	1.3273	2.7425	2.7425	2.1376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Br3	94.518	Br2	C1	F4	113.727
Br2	C1	F5	113.727	Br3	C1	F4	113.727
Br3	C1	F5	113.727	F4	C1	F5	107.276

All results from a given calculation for CBr₂F₂ (Methane, dibromodifluoro-)

using model chemistry: PM3

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CBr2F2 (Methane, dibromodifluoro-)

using model chemistry: PM3

States and conformations

All results from a given calculation for CBr₂F₂ (Methane, dibromodifluoro-)